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BDBM50428492 CHEMBL2335197

SMILES: Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(O)=O

InChI Key: InChIKey=ZBAPDGMUDKGDDE-OAHLLOKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428492   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50428492
PNG
(CHEMBL2335197)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(O)=O |r,wU:27.29,(52.25,-6.63,;50.72,-6.48,;49.69,-7.62,;48.28,-6.99,;46.95,-7.77,;45.61,-7,;45.61,-5.46,;44.28,-7.77,;42.95,-6.99,;41.61,-7.77,;41.61,-9.31,;42.96,-10.07,;44.29,-9.3,;48.44,-5.46,;49.95,-5.14,;50.57,-3.73,;52.08,-3.41,;52.23,-1.87,;50.83,-1.26,;49.8,-2.4,;53.56,-1.11,;53.56,.43,;54.9,-1.87,;56.24,-1.1,;57.57,-1.87,;57.57,-3.41,;58.9,-1.1,;60.23,-1.87,;60.23,-3.41,;61.57,-4.18,;61.57,-5.72,;62.91,-6.49,;62.91,-8.03,;61.57,-8.81,;64.24,-8.81,;61.57,-1.1,;61.57,.44,;62.91,-1.87,;64.24,-1.1,;65.58,-1.87,;66.91,-1.1,;65.58,-3.41,)|
Show InChI InChI=1S/C25H30N10O6S/c1-13-20(42-25(31-13)33-21(39)14-6-3-2-4-7-14)16-10-17(35-34-16)23(41)29-11-18(36)32-15(8-5-9-28-24(26)27)22(40)30-12-19(37)38/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,29,41)(H,30,40)(H,32,36)(H,34,35)(H,37,38)(H4,26,27,28)(H,31,33,39)/t15-/m1/s1
PDB
MMDB

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Similars
Article
PubMed
n/an/a 2.17E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi...

Bioorg Med Chem Lett 23: 340-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W
More data for this
Ligand-Target Pair